Geometry & MOs

Info

ID:	185127
PubChem CID:	77259694
Reduced:	FSO2N4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	419.143426
ΔH_f, kcal/mol:	-79.69
Dipole, Da:	6.69
IP(EA), eV:	-8.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C)C1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3C4CCC(C4)C3C(=O)N

DOS

IR

Vibrations